data_K2PdO2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.34
_cell_length_b   7.94
_cell_length_c   25.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2PdO2
_chemical_formula_sum   'K2 Pd1 O2'
_cell_volume   681.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  1  0.0  0.5  0.59  1.0
  K  K1  1  0.0  0.5  0.41  1.0
  Pd  Pd2  1  0.5  0.5  0.5  1.0
  O  O3  1  0.0  0.35  0.5  1.0
  O  O4  1  0.0  0.65  0.5  1.0

K K Pd O O 0 2 - o o 0 2 o o o 0 3 o o o 0 4 o o o 1 2 - o o 1 2 o o o 1 3 o o o 1 4 o o o 2 3 o o o 2 3 + o o 2 4 o o o 2 4 + o o 3 4 o o o 
data_K2PdO2
_symmetry_space_group_name_H-M   Pmmm
_cell_length_a   3.34
_cell_length_b   7.94
_cell_length_c   25.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   47
_chemical_formula_structural   K2PdO2
_chemical_formula_sum   'K2 Pd1 O2'
_cell_volume   681.32
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, -y, z'
  4  'x, y, -z'
  5  'x, -y, -z'
  6  '-x, y, z'
  7  '-x, y, -z'
  8  'x, -y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  K  K0  2  0.0  0.5  0.41  1.0
  Pd  Pd1  1  0.5  0.5  0.5  1.0
  O  O2  2  0.0  0.35  0.5  1.0

K K Pd O O